6,7-diethoxy-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 6,7-diethoxy-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline Openeye Name: 6,7-diethoxy-1-(4-isopentyloxy-3-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinoline CAS Name: 6,7-diethoxy-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 6,7-diethoxy-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline Traditional Name: 6,7-diethoxy-1-(4-isoamoxy-3-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinoline Formula: C25H35NO4 MolecularWeight: 413.5497

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(NCCC2=C1)C3=CC(=C(C=C3)OCCC(C)C)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(NCCC2=C1)C3=CC(=C(C=C3)OCCC(C)C)OC)OCC

InChI

InChI=1S/C25H35NO4/c1-6-28-23-14-18-10-12-26-25(20(18)16-24(23)29-7-2)19-8-9-21(22(15-19)27-5)30-13-11-17(3)4/h8-9,14-17,25-26H,6-7,10-13H2,1-5H3